Information card for entry 2240681

Structure parameters

• Chemical name: 2,4-Diamino-7-(hydroxymethyl)pteridin-1-ium nitrate
• Formula: C7 H9 N7 O4
• Calculated formula: C7 H9 N7 O4
• Title of publication: Crystal structure of 2,4-diamino-7-(hydroxymethyl)pteridin-1-ium nitrate
• Authors of publication: Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri; Jeevaraj, Muthaiah; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o376 - o377
• a: 6.406 ± 0.0017 Å
• b: 14.96 ± 0.006 Å
• c: 10.867 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1041.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes